[gmx-users] mdrun seems stuck

[Jussi Lehtola]

On Tue, 2009-06-02 at 11:13 +0100, Stefano Meliga wrote:
> The simulation seems just very slow.
> step 0 has appeared on the screen after several minutes and in the log 
> file there's only step zero as well.

You have 43 000 atoms and are using Ewald summation which is O(N^2), so
the simulation really is that slow.

Switch to using coulombtype = PME, that should speed things up.
-- 
------------------------------------------------------
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
------------------------------------------------------
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
------------------------------------------------------